Crystallography Open Database

Information card for entry 4028701

Preview

Coordinates	4028701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H59 N4 O2
Calculated formula	C39 H59 N4 O2
Title of publication	Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines
Authors of publication	Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	10692 - 10704
a	10.7783 ± 0.0006 Å
b	31.1615 ± 0.0016 Å
c	11.9415 ± 0.0007 Å
α	90°
β	113.234 ± 0.007°
γ	90°
Cell volume	3685.5 ± 0.4 Å³
Cell temperature	121.16 ± 0.1 K
Ambient diffraction temperature	121.16 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1875
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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